 | | 0RN | | Name: | SULBACTAM | | Formula: | C8 H11 N O5 S | | SMILES: | O=S2(=O)C(C(N1C(=O)CC12)C(=O)O)(C)C | | InChi: | InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | | Synonyms: | (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide | | Definition date: | 2012-06-11 | | Last modified: | 2020-06-17 | | Release date: | 2012-09-21 | | Identifier: | (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide |
|
 | | 0RP | | Name: | ethyl
(2R,4S)-4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2H
)-carboxylate | | Formula: | C26 H25 F9 N2 O4 | | SMILES: | FC(F)(F)c1cc(cc(c1)C(F)(F)F)CN(C(=O)OC)C3c2c(ccc(c2)C(F)(F)F)N(C(=O)OCC)C(C3)CC | | InChi: | InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1 | | Synonyms: | Torcetrapib | | Definition date: | 2012-05-03 | | Last modified: | 2020-06-17 | | Release date: | 2012-08-31 | | Identifier: | ethyl (2R,4S)-4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2H)-carboxylate |
|
 | | BRL | | Name: | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL) | | Formula: | C18 H19 N3 O3 S | | SMILES: | O=C1NC(=O)SC1Cc3ccc(OCCN(c2ncccc2)C)cc3 | | InChi: | InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)/t15-/m0/s1 | | Synonyms: | BRL49653 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (5S)-5-(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}benzyl)-1,3-thiazolidine-2,4-dione |
|
 | | BRN | | Name: | BERENIL | | Formula: | C14 H15 N7 | | SMILES: | N(=N/Nc1ccc(cc1)C(=[N@H])N)c2ccc(C(=[N@H])N)cc2 | | InChi: | InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20) | | Synonyms: | DIMINAZINE ACETURATE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 4-[(1E)-3-(4-carbamimidoylphenyl)triaz-1-en-1-yl]benzenecarboximidamide |
|
 | | 0RV | | Name: | (2S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2H-pyrro
le-5-carboxylic acid | | Formula: | C17 H25 N3 O6 S | | SMILES: | O=C(O)C(C(O)C)C2N=C(C(SC1CC(C(=O)N(C)C)NC1)=C2C)C(=O)O | | InChi: | InChI=1S/C17H25N3O6S/c1-7-12(11(8(2)21)16(23)24)19-13(17(25)26)14(7)27-9-5-10(18-6-9)15(22)20(3)4/h8-12,18,21H,5-6H2,1-4H3,(H,23,24)(H,25,26)/t8-,9+,10+,11-,12-/m1/s1 | | Synonyms: | Meropenem, hydroxylated form | | Definition date: | 2012-05-10 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2H-pyrrole-5-carboxylic acid |
|
 | | BRS | | Name: | 2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL | | Formula: | C14 H11 Cl N2 O5 | | SMILES: | Clc1ccc(cc1)C(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2O)C | | InChi: | InChI=1S/C14H11ClN2O5/c1-8(9-2-4-10(15)5-3-9)12-6-11(16(19)20)7-13(14(12)18)17(21)22/h2-8,18H,1H3/t8-/m1/s1 | | Synonyms: | DNP-19 | | Definition date: | 2001-12-07 | | Last modified: | 2020-06-17 | | Identifier: | 2-[(1R)-1-(4-chlorophenyl)ethyl]-4,6-dinitrophenol |
|
 | | BRV | | Name: | 5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid | | Formula: | C8 H4 Br3 N O4 | | SMILES: | Brc1c(c(Br)c(C(=O)O)c(Br)c1N)C(=O)O | | InChi: | InChI=1S/C8H4Br3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16) | | Synonyms: | 5-Amino-2,4,6-tribromoisophthalic acid | | Definition date: | 2009-03-30 | | Last modified: | 2020-06-17 | | Identifier: | 5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid |
|
 | | BRW | | Name: | 6-BROMOINDIRUBIN-3'-OXIME | | Formula: | C16 H10 Br N3 O2 | | SMILES: | Brc1ccc2c(c1)NC(=O)C/2=C4C(=NO)c3ccccc3N4 | | InChi: | InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+ | | Synonyms: | (3E)-6'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-OXIME | | Definition date: | 2004-01-14 | | Last modified: | 2020-06-17 | | Identifier: | (2Z,3E)-6'-bromo-2,3'-biindole-2',3(1H,1'H)-dione 3-oxime |
|
 | | 0SM | | Name: | TRIMETHYL-[2-[[(2S,3S)-2-(OCTADECANOYLAMINO)-3-OXIDANYL-BUTOXY]-OXIDANYL-PHOSPHORYL]OXYETHYL]AZANIUM | | Formula: | C27 H58 N2 O6 P | | SMILES: | O=P(OCC(NC(=O)CCCCCCCCCCCCCCCCC)C(O)C)(OCC[N+](C)(C)C)O | | InChi: | InChI=1S/C27H57N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(31)28-26(25(2)30)24-35-36(32,33)34-23-22-29(3,4)5/h25-26,30H,6-24H2,1-5H3,(H-,28,31,32,33)/p+1/t25-,26-/m0/s1 | | Synonyms: | N-OCTADECANOYL-D-ERYTHRO-SPHINGOSYLPHOSPHORYLCHOLINE | | Definition date: | 2011-08-10 | | Last modified: | 2020-06-17 | | Release date: | 2012-09-14 | | Identifier: | (4S,7S)-4-hydroxy-7-[(1S)-1-hydroxyethyl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphahexacosan-1-aminium 4-oxide |
|
 | | BST | | Name: | 6-(4-AMINO-4-HYDROXY-2-OXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-3-[3-AMINO-5-(N-METHYL-GUANIDINO)-PENT
ANOYLAMINO]-3,6-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID | | Formula: | C17 H28 N8 O6 | | SMILES: | O=C1NC(O)(N)C=CN1C2OC(C(=O)O)C(C=C2)NC(=O)CC(N)CCN(C(=[N@H])N)C | | InChi: | InChI=1S/C17H28N8O6/c1-24(15(19)20)6-4-9(18)8-11(26)22-10-2-3-12(31-13(10)14(27)28)25-7-5-17(21,30)23-16(25)29/h2-3,5,7,9-10,12-13,30H,4,6,8,18,21H2,1H3,(H3,19,20)(H,22,26)(H,23,29)(H,27,28)/t9-,10-,12+,13-,17-/m0/s1 | | Synonyms: | TETRAHEDRAL INTERMEDIATE OF BLASTICIDIN S | | Definition date: | 2004-07-30 | | Last modified: | 2020-06-17 | | Identifier: | (4S)-4-amino-1-[4-({(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl}amino)-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl]-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one |
|
 | | BSU | | Name: | 1,3-DIPHENYLUREA | | Formula: | C13 H12 N2 O | | SMILES: | O=C(Nc1ccccc1)Nc2ccccc2 | | InChi: | InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16) | | Synonyms: | DIPHENYLCARBAMIDE | | Definition date: | 2001-05-22 | | Last modified: | 2020-06-17 | | Identifier: | 1,3-diphenylurea |
|
 | | 0T1 | | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]
[(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(propylamino)propyl]amino]butyl] hydrogen phosphate | | Formula: | C22 H38 N7 O16 P3 | | SMILES: | O=C(NCCC)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C22H38N7O16P3/c1-4-6-24-13(30)5-7-25-20(33)17(32)22(2,3)9-42-48(39,40)45-47(37,38)41-8-12-16(44-46(34,35)36)15(31)21(43-12)29-11-28-14-18(23)26-10-27-19(14)29/h10-12,15-17,21,31-32H,4-9H2,1-3H3,(H,24,30)(H,25,33)(H,37,38)(H,39,40)(H2,23,26,27)(H2,34,35,36)/t12-,15-,16-,17+,21-/m1/s1 | | Synonyms: | DETHIACOENZYME A | | Definition date: | 2012-05-29 | | Last modified: | 2020-06-17 | | Release date: | 2013-05-22 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-(propylamino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name) |
|
 | | BT8 | | Name: | 3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole | | Formula: | C21 H26 N4 O3 | | SMILES: | n1nc(ccc1C)N2CCC(CC2)CCOc4ccc3c(onc3OCC)c4 | | InChi: | InChI=1S/C21H26N4O3/c1-3-26-21-18-6-5-17(14-19(18)28-24-21)27-13-10-16-8-11-25(12-9-16)20-7-4-15(2)22-23-20/h4-7,14,16H,3,8-13H2,1-2H3 | | Synonyms: | BTA798 | | Definition date: | 2012-01-05 | | Last modified: | 2020-06-17 | | Release date: | 2012-09-07 | | Identifier: | 3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole |
|
 | | BTB | | Name: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | | Formula: | C8 H19 N O5 | | SMILES: | OCCN(C(CO)(CO)CO)CCO | | InChi: | InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2 | | Synonyms: | BIS-TRIS BUFFER | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol |
|
 | | BTQ | | Name: | EPI-BIOTIN | | Formula: | C10 H16 N2 O3 S | | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)O | | InChi: | InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7+,9-/m0/s1 | | Synonyms: | 5-[(3AS,4R,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID | | Definition date: | 2005-11-17 | | Last modified: | 2020-06-17 | | Identifier: | 5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid |
|
 | | BTW | | Name: | (2S,3R)-2-benzyl-3-sulfanylbutanoic acid | | Formula: | C11 H14 O2 S | | SMILES: | O=C(O)C(C(S)C)Cc1ccccc1 | | InChi: | InChI=1S/C11H14O2S/c1-8(14)10(11(12)13)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,12,13)/t8-,10-/m1/s1 | | Synonyms: | (2S,3R)-2-benzyl-3-mercaptobutanoic acid | | Definition date: | 2009-07-09 | | Last modified: | 2020-06-17 | | Identifier: | (2S,3R)-2-benzyl-3-sulfanylbutanoic acid |
|
 | | BV3 | | Name: | 1,3-BIS-([[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBU
TENYL]-AMINO-ETHYL]-AMINO-CARBONYLOXY)-2-AMINO-PROPANE | | Formula: | C63 H91 N15 O26 | | SMILES: | O=[N+]([O-])c2cc(cc(OC1OC(CO)C(O)C(O)C1O)c2)C(=O)NCCCN3CCN(CC3)CCCNC=4C(=O)C(=O)C=4NCCNC(=O)OCC(N)COC(=O)NCCNC=5C(=O)C(=O)C=5NCCCN6CCN(CC6)CCCNC(=O)c8cc(OC7OC(C(O)C(O)C7O)CO)cc([N+]([O-])=O)c8 | | InChi: | InChI=1S/C63H91N15O26/c64-37(33-99-62(93)71-11-9-67-46-44(50(83)52(46)85)65-5-1-13-73-17-21-75(22-18-73)15-3-7-69-58(91)35-25-38(77(95)96)29-40(27-35)101-60-56(89)54(87)48(81)42(31-79)103-60)34-100-63(94)72-12-10-68-47-45(51(84)53(47)86)66-6-2-14-74-19-23-76(24-20-74)16-4-8-70-59(92)36-26-39(78(97)98)30-41(28-36)102-61-57(90)55(88)49(82)43(32-80)104-61/h25-30,37,42-43,48-49,54-57,60-61,65-68,79-82,87-90H,1-24,31-34,64H2,(H,69,91)(H,70,92)(H,71,93)(H,72,94)/t37?,42-,43?,48+,49?,54+,55?,56-,57?,60+,61?/m1/s1 | | Synonyms: | BV3 | | Definition date: | 2003-11-24 | | Last modified: | 2020-06-17 | | Identifier: | 2-amino-3-{[(2-{[2-({3-[4-(3-{[(3-nitro-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}phenyl)carbonyl]amino}propyl)piperazin-1-yl]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]amino}ethyl)carbamoyl]oxy}propyl (2-{[2-({3-[4-(3-{[(3-nitro-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}phenyl)carbonyl]amino}propyl)piperazin-1-yl]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]amino}ethyl)carbamate (non-preferred name) |
|
 | | BVP | | Name: | (E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE | | Formula: | C11 H14 Br N2 O8 P | | SMILES: | Br[C@H]=CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O | | InChi: | InChI=1S/C11H14BrN2O8P/c12-2-1-6-4-14(11(17)13-10(6)16)9-3-7(15)8(22-9)5-21-23(18,19)20/h1-2,4,7-9,15H,3,5H2,(H,13,16,17)(H2,18,19,20)/b2-1+/t7-,8+,9+/m0/s1 | | Synonyms: | BVDU-MP | | Definition date: | 2003-03-31 | | Last modified: | 2020-06-17 | | Identifier: | 5-[(E)-2-bromoethenyl]-2'-deoxyuridine 5'-(dihydrogen phosphate) |
|
 | | 1O2 | | Name: | (2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate | | Formula: | C43 H80 O10 | | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC1OC(C(O)C(O)C1O)CO)CCCCCCCC=C/CCCCCCCC | | InChi: | InChI=1S/C43H80O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,36-37,40-44,47-49H,3-16,19-35H2,1-2H3/b18-17-/t36-,37-,40+,41+,42-,43+/m1/s1 | | Synonyms: | 1-oleoyl,2-palmitoyl-3-O(alpha-D-galactopyranosyl)-sn-glycerol | | Definition date: | 2009-08-10 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate |
|
 | | BW2 | | Name: | N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID | | Formula: | C20 H19 N5 O8 S | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)S(=O)(=O)Nc3ccc2N=C(NC(=O)c2c3)N)CCC(=O)O | | InChi: | InChI=1S/C20H19N5O8S/c21-20-23-14-6-3-11(9-13(14)18(29)24-20)25-34(32,33)12-4-1-10(2-5-12)17(28)22-15(19(30)31)7-8-16(26)27/h1-6,9,15,25H,7-8H2,(H,22,28)(H,26,27)(H,30,31)(H3,21,23,24,29) | | Synonyms: | BW2315U89UC | | Definition date: | 2003-06-12 | | Last modified: | 2020-06-17 | | Identifier: | N-({4-[(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)sulfamoyl]phenyl}carbonyl)glutamic acid |
|
 | | BWD | | Name: | 2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID | | Formula: | C7 H8 Br N3 O4 | | SMILES: | O=C(O)C(N)CN1C=C(Br)C(=O)NC1=O | | InChi: | InChI=1S/C7H8BrN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1 | | Synonyms: | BROMO-WILLARDIINE | | Definition date: | 2002-09-19 | | Last modified: | 2020-06-17 | | Identifier: | 3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine |
|
 | | BWU | | Name: | Tetraphenylporphycene contating cobalt | | Formula: | C44 H28 Co N4 | | SMILES: | [Co]1n2c3ccc2C(=C(c4ccccc4)C5=NC(=C6C=CC(=C(c7ccccc7)C(=C8C=CC3=N8)c9ccccc9)[N]16)C=C5)c%10ccccc%10 | | InChi: | InChI=1S/C44H28N4.Co/c1-5-13-29(14-6-1)41-37-25-21-33(45-37)34-23-27-39(47-34)43(31-17-9-3-10-18-31)44(32-19-11-4-12-20-32)40-28-24-36(48-40)35-22-26-38(46-35)42(41)30-15-7-2-8-16-30 | | Synonyms: | Co-9,10,19,20-Tetraphenylporphycene | | Definition date: | 2019-03-25 | | Last modified: | 2020-06-17 | | Release date: | 2020-03-11 |
|
 | | 1P1 | | Name: | (22R,51R)-22,51-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,61,64,6
5-docosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10(
65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone | | Formula: | C52 H60 N24 O10 | | SMILES: | O=C8Nc1nc(n(c1)C)C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)NCCC(N)C(=O)Nc4nc(n(c4)C)C(=O)Nc5nc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)NCCC(N)C(=O)Nc9nc8n(c9)C | | InChi: | InChI=1S/C52H60N24O10/c1-69-17-25-13-31(69)45(79)55-11-9-29(53)43(77)65-35-21-75(7)41(61-35)51(85)68-38-24-74(6)40(64-38)50(84)60-28-16-34(72(4)20-28)48(82)58-26-14-32(70(2)18-26)46(80)56-12-10-30(54)44(78)66-36-22-76(8)42(62-36)52(86)67-37-23-73(5)39(63-37)49(83)59-27-15-33(47(81)57-25)71(3)19-27/h13-24,29-30H,9-12,53-54H2,1-8H3,(H,55,79)(H,56,80)(H,57,81)(H,58,82)(H,59,83)(H,60,84)(H,65,77)(H,66,78)(H,67,86)(H,68,85)/t29-,30-/m1/s1 | | Synonyms: | Cyclic Polyamide | | Definition date: | 2009-07-10 | | Last modified: | 2020-06-17 | | Identifier: | (22R,51R)-22,51-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,61,64,65-docosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone |
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 | | BWX | | Name: | (2S)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid | | Formula: | C22 H27 N O3 | | SMILES: | CC(C)Cc1ccc(cc1)[CH](C)C(=O)N[CH](Cc2ccccc2)C(O)=O | | InChi: | InChI=1S/C22H27NO3/c1-15(2)13-18-9-11-19(12-10-18)16(3)21(24)23-20(22(25)26)14-17-7-5-4-6-8-17/h4-12,15-16,20H,13-14H2,1-3H3,(H,23,24)(H,25,26)/t16-,20-/m0/s1 | | Synonyms: | N-(S)-Ibuprofenoyl-L-Phenylalanine | | Definition date: | 2019-03-26 | | Last modified: | 2020-06-17 | | Release date: | 2020-03-18 | | Identifier: | (2~{S})-2-[[(2~{S})-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid |
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 | | BX3 | | Name: | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID | | Formula: | C27 H30 N4 O3 | | SMILES: | O=C(O)C(c2ccc(OC1CCN(C(=[N@H])C)CC1)cc2)Cc4cc3cc(C(=[N@H])N)ccc3cc4 | | InChi: | InChI=1S/C27H30N4O3/c1-17(28)31-12-10-24(11-13-31)34-23-8-6-20(7-9-23)25(27(32)33)15-18-2-3-19-4-5-21(26(29)30)16-22(19)14-18/h2-9,14,16,24-25,28H,10-13,15H2,1H3,(H3,29,30)(H,32,33)/b28-17+/t25-/m0/s1 | | Synonyms: | BX5633 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({1-[(1E)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]propanoic acid |
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